2,6-bis(azepan-1-yl)-N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrimidin-4-amine

Systemtic Name: 2,6-bis(azepan-1-yl)-N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrimidin-4-amine Openeye Name: 2,6-bis(azepan-1-yl)-N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methyleneamino]pyrimidin-4-amine CAS Name: 2,6-bis(1-azepanyl)-N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-pyrimidinamine IUPAC Name: 2,6-bis(azepan-1-yl)-N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrimidin-4-amine Traditional Name: [2,6-bis(azepan-1-yl)pyrimidin-4-yl]-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C24H31N7O4 MolecularWeight: 481.54744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC(=N2)N3CCCCCC3)NN=CC4=CC(=C5C(=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC(=N2)N3CCCCCC3)N/N=C/C4=CC(=C5C(=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C24H31N7O4/c32-31(33)19-13-18(14-20-23(19)35-17-34-20)16-25-28-21-15-22(29-9-5-1-2-6-10-29)27-24(26-21)30-11-7-3-4-8-12-30/h13-16H,1-12,17H2,(H,26,27,28)/b25-16+